SCHEMBL18960432

SCHEMBL18960432

Cn1c(NCc2ccc(Oc3ccc(F)cn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PPARG P37231 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.42
P2RX3 P56373 4/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18960442 0.89 NPC1 (0.47) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL17488234 0.89 NPC1 (0.48) NPC1RAB9APPARGKMT2AMEN1
SCHEMBL17488172 0.88 CYP3A4 (0.54) NPC1RAB9APPARGKMT2AKDM4E
SCHEMBL18960446 0.88 NPC1 (0.47) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL17488117 0.88 RAB9A (0.44) NPC1RAB9APPARGKMT2AMEN1
SCHEMBL18960418 0.88 NPC1 (0.44) NPC1RAB9ACYP3A4GAAMAPK1
SCHEMBL18965960 0.87 NPC1 (0.43) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL18960425 0.86 CYP3A4 (0.50) NPC1RAB9APPARGKMT2AMEN1
SCHEMBL17488239 0.86 OPRM1 (0.47) NPC1RAB9APPARGKMT2AKDM4E
SCHEMBL18960429 0.84 NPC1 (0.46) NPC1RAB9AKMT2ACYP3A4P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 NPC1 2764/4885RAB9A 3982/4885PPARG 472/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.